5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine

C14H18N4OS — CID 82167428

IUPAC5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
SMILESCOc1ccc2c(c1)sc1nnc(CCCCCN)n12
InChIInChI=1S/C14H18N4OS/c1-19-10-6-7-11-12(9-10)20-14-17-16-13(18(11)14)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3
InChIKeyZFZGKIOBYIRFJA-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.62
Rot. Bonds6

About 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine

5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine (PubChem CID 82167428) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
PubChem CID82167428
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
SMILESCOc1ccc2c(c1)sc1nnc(CCCCCN)n12
InChIInChI=1S/C14H18N4OS/c1-19-10-6-7-11-12(9-10)20-14-17-16-13(18(11)14)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3
InChIKeyZFZGKIOBYIRFJA-UHFFFAOYSA-N
XLogP2.62
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine
CID 82167368
2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
CID 82167442
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
6-methoxy-N-phenyl-[1,2,4]oxadiazolo[3,4-b][1,3]benzothiazol-1-imine
CID 162403423
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
6-methoxy-[1,4,2]diazaphospholo[5,1-b][1,3]benzothiazole
CID 134989757
4-(5-methoxy-2-methylphenyl)butan-1-amine
CID 66581549
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine?
The IUPAC name of 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine (CID 82167428) is 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine.
What is the SMILES notation for 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine?
The canonical SMILES for 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine is COc1ccc2c(c1)sc1nnc(CCCCCN)n12.
What is the InChIKey of 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine?
The InChIKey is ZFZGKIOBYIRFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-19-10-6-7-11-12(9-10)20-14-17-16-13(18(11)14)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3.
What are the key properties of 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine?
5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine has a molecular weight of 290.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)pentan-1-amine is sourced from PubChem (CID 82167428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).